methyl N'-[3-(1-azanylcyclohexyl)phenyl]carbamimidothioate

Systemtic Name: methyl N'-[3-(1-azanylcyclohexyl)phenyl]carbamimidothioate Openeye Name: 3-[3-(1-aminocyclohexyl)phenyl]-2-methyl-isothiourea CAS Name: N'-[3-(1-aminocyclohexyl)phenyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N'-[3-(1-aminocyclohexyl)phenyl]carbamimidothioate Traditional Name: 3-[3-(1-aminocyclohexyl)phenyl]-2-methyl-isothiourea Formula: C14H21N3S MolecularWeight: 263.40164

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NC1=CC=CC(=C1)C2(CCCCC2)N)N

Isomeric SMILES

CSC(=NC1=CC=CC(=C1)C2(CCCCC2)N)N

InChI

InChI=1S/C14H21N3S/c1-18-13(15)17-12-7-5-6-11(10-12)14(16)8-3-2-4-9-14/h5-7,10H,2-4,8-9,16H2,1H3,(H2,15,17)